SCHEMBL2687113

SCHEMBL2687113

Cc1cccc2c1OC(CN)CN2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
PKM P14618 1/20 0.35
CASR P41180 1/20 0.34
HTR1A P08908 2/20 0.33
PRKAB2 O43741 2/20 0.32
PRKAG1 P54619 2/20 0.32
PRKAA2 P54646 2/20 0.32
PRKAA1 Q13131 2/20 0.32
PRKAG3 Q9UGI9 2/20 0.32
PRKAG2 Q9UGJ0 2/20 0.32
PRKAB1 Q9Y478 2/20 0.32
NISCH Q9Y2I1 1/20 0.32
HTR5A P47898 1/20 0.30
HPGD P15428 1/20 0.30
NOS2 P35228 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3218102 0.88 PRKAB2 (0.34) BRD4CREBBPHTR2AHTR2CHTR2B
SCHEMBL3213753 0.88 PRKAB2 (0.34) BRD4CREBBPHTR2AHTR2CHTR2B
SCHEMBL3218165 0.88 PRKAB2 (0.34) BRD4CREBBPHTR2AHTR2CHTR2B
SCHEMBL3216852 0.87 PKM (0.35) BRD4CREBBPHTR2AHTR2CHTR2B
SCHEMBL3222181 0.87 PKM (0.35) BRD4CREBBPHTR2AHTR2CHTR2B
SCHEMBL3211615 0.87 PKM (0.35) BRD4CREBBPHTR2AHTR2CHTR2B
SCHEMBL2686648 0.84 PRKAB2 (0.39) HTR2AHTR2CHTR2BCASRHTR1A
SCHEMBL2684325 0.83 CA2 (0.39) HTR2AHTR2CHTR2BCASRHTR1A
SCHEMBL3208813 0.82 HTR2C (0.36) BRD4CREBBPHTR2AHTR2CHTR2B
SCHEMBL3209728 0.82 HTR2C (0.36) BRD4CREBBPHTR2AHTR2CHTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438050-B9 NOVEL DERIVATIVES OF ARYL-{4-HALOGENO-4-[AMINOMETHYL]-PIPERIDIN-1-YL}-METHANONE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICINAL PRODUCTS PF MEDICAMENT (FR) 2014-04-23 EP disclosed
US-8669250-B2 Derivatives of aryl-{4-halogeno-4-[aminomethyl]-piperidin-1-yl}-methanone, their method of preparation and their use as medicinal products PIERRE FABRE MEDICAMENT (FR) 2014-03-11 US disclosed
EP-2438050-B1 NOVEL DERIVATIVES OF ARYL-{4-HALOGENO-4-[AMINOMETHYL]-PIPERIDIN-1-YL}-METHANONE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICINAL PRODUCTS PF MEDICAMENT (FR) 2013-08-07 EP disclosed
US-20120115860-A1 NOVEL DERIVATIVES OF ARYL--METHANONE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICINAL PRODUCTS PIERRE FABRE MEDICAMENT (FR) 2012-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120115860-A1 NOVEL DERIVATIVES OF ARYL--METHANONE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICINAL PRODUCTS CYP11B1, CYP11B2, CYP3A43 BRD4 1520/4885CREBBP 2187/4885HTR2A 1459/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.